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TitleDesign, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 7977-7990, Year 2018
Publish dateJun 25, 2018 (structure data deposition date)
AuthorsWang, Z. / Zhang, Y. / Pinkas, D.M. / Fox, A.E. / Luo, J. / Huang, H. / Cui, S. / Xiang, Q. / Xu, T. / Xun, Q. ...Wang, Z. / Zhang, Y. / Pinkas, D.M. / Fox, A.E. / Luo, J. / Huang, H. / Cui, S. / Xiang, Q. / Xu, T. / Xun, Q. / Zhu, D. / Tu, Z. / Ren, X. / Brekken, R.A. / Bullock, A.N. / Liang, G. / Ding, K. / Lu, X.
External linksJ. Med. Chem. / PubMed:30075624
MethodsX-ray diffraction
Resolution2.07 Å
Structure data

PDB-6gwr:
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-FEW:
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE

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